N-methyl-1-(3-methylphenyl)-2-pyrrolidin-1-ylethanamine

C14H22N2 — CID 20735110

IUPACN-methyl-1-(3-methylphenyl)-2-pyrrolidin-1-ylethanamine
SMILESCNC(CN1CCCC1)c1cccc(C)c1
InChIInChI=1S/C14H22N2/c1-12-6-5-7-13(10-12)14(15-2)11-16-8-3-4-9-16/h5-7,10,14-15H,3-4,8-9,11H2,1-2H3
InChIKeyDDJXFLNKUQPOCW-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.35
Rot. Bonds4

About N-methyl-1-(3-methylphenyl)-2-pyrrolidin-1-ylethanamine

N-methyl-1-(3-methylphenyl)-2-pyrrolidin-1-ylethanamine (PubChem CID 20735110) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is N-methyl-1-(3-methylphenyl)-2-pyrrolidin-1-ylethanamine.

Molecular Properties

Compound NameN-methyl-1-(3-methylphenyl)-2-pyrrolidin-1-ylethanamine
PubChem CID20735110
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC NameN-methyl-1-(3-methylphenyl)-2-pyrrolidin-1-ylethanamine
SMILESCNC(CN1CCCC1)c1cccc(C)c1
InChIInChI=1S/C14H22N2/c1-12-6-5-7-13(10-12)14(15-2)11-16-8-3-4-9-16/h5-7,10,14-15H,3-4,8-9,11H2,1-2H3
InChIKeyDDJXFLNKUQPOCW-UHFFFAOYSA-N
XLogP2.35
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl-hydroxy-dimethylsilane;(1S)-N-methyl-1-(3-methylphenyl)-2-pyrrolidin-1-ylethanamine;sulfane
CID 161283631
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-methyl-1-(3-methylphenyl)ethanamine
CID 115559669
2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-N-methyl-1-(3-methylphenyl)ethanamine
CID 63149736
N-methyl-1-(4-methylphenyl)-2-pyrrolidin-1-ylethanamine
CID 19439989
N-methyl-1-(3-methylphenyl)-2-(2,2,6,6-tetramethylmorpholin-4-yl)ethanamine
CID 102743532
2-(3,4-dimethylpiperazin-1-yl)-N-methyl-1-(3-methylphenyl)ethanamine
CID 55215794
N-methyl-1-(3-methylphenyl)-2-(2-propylpiperidin-1-yl)ethanamine
CID 83052318
1-[[(1R)-1-(3-methylphenyl)ethyl]amino]-3-pyrrolidin-1-ylpropan-2-ol
CID 81360774
N-methyl-2-piperidin-1-yl-1-(2,4,6-trimethylphenyl)ethanamine
CID 15203039
2-cycloheptyl-N-methyl-1-(3-methylphenyl)ethanamine
CID 115789919
(1S)-1-(4-methoxyphenyl)-N-methyl-2-pyrrolidin-1-ylethanamine
CID 139630399
1-[2-(methylamino)-2-(3-methylphenyl)ethyl]-3-propylimidazol-2-one
CID 80581733

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(3-methylphenyl)-2-pyrrolidin-1-ylethanamine?
The IUPAC name of N-methyl-1-(3-methylphenyl)-2-pyrrolidin-1-ylethanamine (CID 20735110) is N-methyl-1-(3-methylphenyl)-2-pyrrolidin-1-ylethanamine.
What is the SMILES notation for N-methyl-1-(3-methylphenyl)-2-pyrrolidin-1-ylethanamine?
The canonical SMILES for N-methyl-1-(3-methylphenyl)-2-pyrrolidin-1-ylethanamine is CNC(CN1CCCC1)c1cccc(C)c1.
What is the InChIKey of N-methyl-1-(3-methylphenyl)-2-pyrrolidin-1-ylethanamine?
The InChIKey is DDJXFLNKUQPOCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-12-6-5-7-13(10-12)14(15-2)11-16-8-3-4-9-16/h5-7,10,14-15H,3-4,8-9,11H2,1-2H3.
What are the key properties of N-methyl-1-(3-methylphenyl)-2-pyrrolidin-1-ylethanamine?
N-methyl-1-(3-methylphenyl)-2-pyrrolidin-1-ylethanamine has a molecular weight of 218.34 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(3-methylphenyl)-2-pyrrolidin-1-ylethanamine is sourced from PubChem (CID 20735110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).